4-hydroxyoctanoic acid sodium salt | 50996-94-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 4-hydroxyoctanoic acid sodium salt
• 英文别名: Sodium 4-hydroxyoctanoate；sodium;4-hydroxyoctanoate
• CAS: 50996-94-6
• 化学式: C₈H₁₅O₃*Na
• 分子量: 182.195
• InChiKey: XLBTUYAGSXTHPF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.93
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-hydroxyoctanoic acid sodium salt 在 溶剂黄146 、 盐酸 作用下， 以 水 为溶剂， 以0.87 g的产率得到4-氧代辛酸
  参考文献：
  名称：

  10.1007/s10600-024-04416-1

  摘要：

  DOI：

  10.1007/s10600-024-04416-1
• 作为产物：
  描述：

  丙位辛内酯 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 2.5h， 以100%的产率得到4-hydroxyoctanoic acid sodium salt
  参考文献：
  名称：

  Lipase-mediated regioselective modifications of macrolactonic sophorolipids

  摘要：

  Chemoenzymatic synthesis and modification of well-defined macrolactonic sophorolipid (SLML) analogues via a series of successive regioselective de-esterification/transesterification reactions is investigated. Of the lipases screened, Candida antartica lipase- B (Novozyme-435) successfully deacylated the C-6' acetoxy group of natural and peracylated SLMLs. Subsequent transesterification with acylating agents (esters of fatty acids) was successful only with the C-6' deacetylated natural SLML providing an avenue to well-defined analogues of varying amphilicity. The macrolactonic motif was essential for enzymatic recognition of the sophorose rings of these complex glycolipids. In the absence of the lactonic motif, the peracylated sophorose rings are not deacylated, rather the carboxyl end of the non-lactonic forms that was preferentially transesterified. All macrolactonic derivatives were characterized by IR, H-1, C-13, H-1-H-1 and H-1-C-13 NMR spectroscopy, as well as HRMS where applicable. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2017.02.043

文献信息

• Stereoselective Synthesis of γ‐(Acyloxy)carboxylic Acids and γ‐Lactones Featuring the Switch of Stereopreference of <i>Candida antarctica</i> Lipase B in Sodium γ‐Hydroxycarboxylate Homologues
  作者：Jaan Parve、Marina Kudryashova、Tatsiana Shalima、Ly Villo、Moonika Ferschel、Allan Niidu、Ilme Liblikas、Indrek Reile、Riina Aav、Nicholas Gathergood、Lauri Vares、Tõnis Pehk、Omar Parve

  DOI：10.1002/ejoc.202201329

  日期：2023.1.17

  The synthesis of enantiomeric γ-(acyloxy)carboxylic acids and γ-lactones from racemic γ-lactones is reported, which involves lipase-catalyzed acylation of γ-hydroxycarboxylic acid sodium salts in organic solvent followed by relactonization of the unreacted enantiomer. The products were separated by extraction, no column chromatography is needed.

  报道了从外消旋 γ-内酯合成对映体 γ-(酰氧基)羧酸和 γ-内酯，其涉及脂肪酶催化的 γ-羟基羧酸钠盐在有机溶剂中的酰化，然后是未反应的对映体的再内酯化。产品通过萃取分离，无需柱层析。
• Alkanoyloxybenzenesulfonate salt production
  申请人：ETHYL CORPORATION

  公开号：EP0125641A2

  公开（公告）日：1984-11-21

  An alkali metal or an alkaline earth metal salt of an acyloxybenzenesulfonate of the formula: in which R is a hydrocarbyl group containing up to 30 carbon atomsselected from alkyl, alkenyl, cycloalkyl, aryl, aralkyl and M is an alkali metal or an alkaline earth metal is prepared by reacting at elevated temperature the corresponding hydroxybenzene sulfonate salt of the formula: with an aryl ester of the formula: in which R is as defined above.

  式中的酰氧基苯磺酸的碱金属或碱土金属盐： 式中，R 为从烷基、烯基、环烷基、芳基、芳烷基中选出的含最多 30 个碳原子的烃基，M 为碱金属或碱土金属： 与式中的芳基酯反应制备： 式中 R 如上定义。
• Method of preparing acyloxybenzenesulfonic acids and salts thereof
  申请人：ETHYL CORPORATION

  公开号：EP0165480A1

  公开（公告）日：1985-12-27

  Alkali metal salts and alkaline earth metal salts of' acyloxybenzenesulfonate are prepared by sulfonating an aryl ester of an organic acid with gaseous sulfur trioxide to produce a sulfonation reaction mixture containing acyloxybenzenesulfonic acid, neutralizing the sulfonation reaction mixture with alkali metal hydroxide or alkaline earth metal hydroxide to produce an alkali metal salt or alkaline earth metal salt of an acyloxybenzenesulfonic acid and thereafter recovering from the reaction mixture the acyloxybenzenesulfonic acid salt product thus formed.

  丙烯酰氧基苯磺酸的碱金属盐和碱土金属盐的制备方法是：将有机酸的芳基酯与气态三氧化硫磺化，生成含有丙烯酰氧基苯磺酸的磺化反应混合物，用碱金属氢氧化物或碱土金属氢氧化物中和磺化反应混合物，生成丙烯酰氧基苯磺酸的碱金属盐或碱土金属盐，然后从反应混合物中回收由此生成的丙烯酰氧基苯磺酸盐产物。
• WINEBURG J. P.; ABRAMS C.; SWERN D., J. HETEROCYCL. CHEM. <JHTC-AD>, 1975, 12, NO 4, 749-754
  作者：WINEBURG J. P.、 ABRAMS C.、 SWERN D.

  DOI：——

  日期：——
• US4537724A
  申请人：——

  公开号：US4537724A

  公开（公告）日：1985-08-27